SCHEMBL11093201

SCHEMBL11093201

CC(C)CCOCC1Nc2c(nc(N)[nH]c2=O)NC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 8/20 0.43
▸ USP2 O75604 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NOS3 P29474 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ PAH P00439 1/20 0.36
▸ HPRT1 P00492 3/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL10801475 0.99 NOS1 (0.42) NOS1USP2CASP7HSD17B10KDM4E
Hydrochloric Acid SCHEMBL10618545 0.83 NOS1 (0.54) NOS1USP2CASP7HSD17B10KDM4E
Hydrochloric Acid SCHEMBL10615692 0.83 NOS1 (0.60) NOS1USP2CASP7HSD17B10KDM4E
Hydrochloric Acid SCHEMBL10615706 0.83 KDM4E (0.42) NOS1USP2CASP7HSD17B10KDM4E
Hydrochloric Acid SCHEMBL10615647 0.83 NOS1 (0.61) NOS1USP2CASP7HSD17B10KDM4E
Hydrochloric Acid SCHEMBL10616936 0.81 NOS1 (0.41) NOS1USP2CASP7HSD17B10KDM4E
Hydrochloric Acid SCHEMBL10798798 0.81 NOS1 (0.41) NOS1USP2CASP7HSD17B10KDM4E
SCHEMBL10802425 0.80 NOS1 (0.46) NOS1USP2CASP7HSD17B10KDM4E
Hydrochloric Acid SCHEMBL10618021 0.79 NOS1 (0.46) NOS1USP2CASP7HSD17B10KDM4E
Hydrochloric Acid SCHEMBL10618018 0.79 NOS1 (0.43) NOS1NOS3NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0108890-A2 Pharmaceutically active pteridine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-23 — — EP disclosed
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